1,3-Benzothiazol-6-ylboronic acid

Product Information

Molecular Formula:
C7H6BNO2S
Molecular Weight:
179.00
Description
1,3-Benzothiazol-6-ylboronic acid is a biomedical compound utilized in pharmaceutical research, specifically for the creation of novel drugs. It has the ability to participate in Suzuki coupling reactions and can be used for drug synthesis route design.
Synonyms
benzo[d]thiazol-6-ylboronic acid; Benzo[D]Thiazol-6-YlboronicAcid; (1,3-benzothiazol-6-yl)boronic acid; 1,3-BENZOTHIAZOL-6-YLBORONIC ACID; 1,3-Benzothiazol-6-ylboronic acid; 8-Oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacidmonosodiumsalt
IUPAC Name
1,3-benzothiazol-6-ylboronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)N=CS2)(O)O
InChI
InChI=1S/C7H6BNO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4,10-11H
InChI Key
HGXFPSLIIZOVMB-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
179.0212298 g/mol
Monoisotopic Mass
179.0212298 g/mol
Topological Polar Surface Area
81.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
170
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2021247916-A1 Azetidine and spiroazetidine compounds and uses thereof 2020-06-03
WO-2021139775-A1 Pyridone compound and application 2020-01-10
WO-2021113679-A1 Dimeric compounds as sting agonists 2019-12-06
CN-112694477-A Pyrazolo ring compound, pharmaceutical composition containing same, preparation method and application thereof 2019-10-22
WO-2021064677-A1 Inhibitors of human immunodeficiency virus replication 2019-10-04
WO-2021064571-A1 N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication 2019-10-01
AU-2018302178-A1 1,8-naphthyridinone compounds and uses thereof 2017-07-18
AU-2018302179-A1 Heterocyclic compounds as adenosine antagonists 2017-07-18
CA-3070073-A1 1,8-naphthyridinone compounds and uses thereof 2017-07-18
EP-3654978-A1 Heterocyclic compounds as adenosine antagonists 2017-07-18
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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